#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely s SER 2 N 0.00 -0.75 0.17 1.61 1.04 -1.26 -5.18 113.70 109.33 2ely s SER 2 Ca 0.00 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.55 2ely s SER 2 Cb 0.00 1.36 0.06 0.00 0.10 0.00 0.00 66.02 67.54 2ely s SER 2 CO 0.00 -0.23 0.78 -0.94 0.98 0.00 0.00 173.24 173.83 2ely s SER 3 N 0.74 -0.33 0.00 7.02 1.04 -1.26 -5.09 113.70 115.83 2ely s SER 3 Ca -0.03 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2ely s SER 3 Cb -0.05 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2ely s SER 3 CO -0.06 -1.01 0.67 0.61 0.98 0.00 0.00 173.24 174.42 2ely n GLY 4 N -0.41 -3.20 3.94 7.32 0.00 -1.26 -4.61 105.19 106.97 2ely n GLY 4 Ca -0.09 0.65 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 2ely n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ely s SER 5 N -2.88 4.10 -0.50 1.61 1.04 -1.26 -5.05 113.70 110.76 2ely s SER 5 Ca 0.00 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 2ely s SER 5 Cb 0.00 -0.69 0.13 0.00 0.10 0.00 0.00 66.02 65.56 2ely s SER 5 CO 0.00 -2.09 0.33 -0.44 0.98 0.00 0.00 173.24 172.02 2ely s SER 6 N -4.69 5.48 0.00 7.02 0.01 -1.26 -4.99 113.70 115.26 2ely s SER 6 Ca 0.66 -2.21 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2ely s SER 6 Cb -0.08 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2ely s SER 6 CO 0.48 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2ely n GLY 7 N 4.42 0.85 2.85 3.44 0.00 -1.26 -5.05 105.19 110.45 2ely n GLY 7 Ca -0.01 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 2ely n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ely s THR 8 N -2.76 0.53 0.00 2.61 -4.23 -1.26 -4.92 115.64 105.61 2ely s THR 8 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2ely s THR 8 Cb 0.00 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.23 2ely s THR 8 CO 0.00 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2ely n GLY 9 N 4.55 0.11 0.34 3.99 0.00 -1.26 -5.04 105.19 107.88 2ely n GLY 9 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2ely n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ely h GLU 10 N 0.00 1.05 -4.28 1.61 4.11 -1.99 -3.44 114.58 111.64 2ely h GLU 10 Ca 0.00 -0.12 -0.60 0.00 0.07 0.00 0.00 59.36 58.70 2ely h GLU 10 Cb 0.00 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.06 2ely h GLU 10 CO 0.00 0.78 0.33 1.63 0.07 0.00 0.00 179.01 181.82 2ely n LYS 11 N -4.35 0.00 -0.11 1.06 4.01 -1.26 -4.83 118.16 112.68 2ely n LYS 11 Ca 0.08 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.74 2ely n LYS 11 Cb 0.11 -1.07 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 2ely n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2ely h PRO 12 N 3.05 0.86 -6.58 1.97 0.13 -1.86 -3.44 132.00 126.14 2ely h PRO 12 Ca -0.33 -0.46 -0.52 0.00 -0.87 0.00 0.00 66.00 63.82 2ely h PRO 12 Cb 0.99 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ely h PRO 12 CO 0.61 1.10 0.46 -0.06 -0.23 0.00 0.00 178.00 179.89 2ely s PHE 13 N -4.38 3.61 -0.11 1.56 0.08 -1.25 -4.96 117.98 112.53 2ely s PHE 13 Ca -0.11 1.58 -0.12 0.00 0.12 0.00 0.00 56.93 58.40 2ely s PHE 13 Cb 0.10 -3.25 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 2ely s PHE 13 CO 0.87 -0.53 0.33 0.15 -0.10 0.00 0.00 175.22 175.93 2ely s LYS 14 N 0.14 0.42 0.21 0.44 1.02 -1.26 -0.44 119.74 120.28 2ely s LYS 14 Ca 0.51 0.37 -0.31 0.00 0.02 0.00 0.00 55.97 56.56 2ely s LYS 14 Cb -0.27 0.20 -0.11 0.00 -0.52 0.00 0.00 37.83 37.13 2ely s LYS 14 CO 0.32 -0.06 1.57 0.00 -0.92 0.00 0.00 175.35 176.26 2ely n VAL 16 N 3.30 0.00 -0.03 0.00 3.14 -1.26 0.62 118.33 124.10 2ely n VAL 16 Ca 0.12 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.45 2ely n VAL 16 Cb 0.38 -0.02 -0.03 0.00 -1.06 0.00 0.00 33.84 33.11 2ely n VAL 16 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ely n GLU 17 N -0.50 0.23 0.00 1.45 -0.58 -1.26 -4.85 120.64 115.13 2ely n GLU 17 Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2ely n GLU 17 Cb 0.00 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ely n GLY 19 N 2.70 1.02 1.79 0.00 0.00 0.20 -4.95 105.19 105.95 2ely n GLY 19 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 2ely n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ely n LYS 20 N -1.86 -1.21 -3.85 1.61 4.81 -1.26 -4.43 118.16 111.96 2ely n LYS 20 Ca 0.00 -0.49 -0.26 0.00 -0.87 0.00 0.00 58.31 56.69 2ely n LYS 20 Cb 0.06 -0.90 -0.17 0.00 0.02 0.00 0.00 35.03 34.04 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2ely s GLY 21 N -1.74 0.73 0.50 3.14 0.00 -1.26 -3.34 107.32 105.34 2ely s GLY 21 Ca 0.23 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2ely s GLY 21 CO 0.19 0.96 0.01 -1.36 0.00 0.00 0.00 173.10 172.90 2ely s PHE 22 N 1.79 1.85 0.00 1.90 0.40 0.42 -4.99 117.98 119.35 2ely s PHE 22 Ca 0.04 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2ely s PHE 22 Cb -0.13 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2ely s PHE 22 CO -0.07 0.19 0.00 0.45 0.70 0.00 0.00 175.22 176.49 2ely n SER 23 N -1.27 3.36 -4.19 1.36 2.88 -1.26 -3.77 113.62 110.72 2ely n SER 23 Ca -0.18 -0.09 -0.16 0.00 -1.33 0.00 0.00 58.87 57.11 2ely n SER 23 Cb 0.67 0.86 -0.11 0.00 -0.75 0.00 0.00 64.21 64.87 2ely n SER 23 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2ely s ARG 24 N -1.53 0.88 0.07 -1.46 3.52 -1.26 -4.93 118.95 114.24 2ely s ARG 24 Ca 0.00 -1.15 -0.34 0.00 -0.13 0.00 0.00 55.73 54.11 2ely s ARG 24 Cb 0.00 -0.65 -0.17 0.00 -1.56 0.00 0.00 34.95 32.57 2ely s ARG 24 CO 0.00 0.11 1.52 0.00 -0.81 0.00 0.00 175.30 176.12 2ely h ARG 25 N 3.63 -1.04 -0.90 5.12 3.08 -1.99 -2.60 114.38 119.67 2ely h ARG 25 Ca -0.38 0.07 0.18 0.00 0.07 0.00 0.00 59.98 59.92 2ely h ARG 25 Cb 1.19 0.24 -0.11 0.00 0.08 0.00 0.00 29.97 31.37 2ely h ARG 25 CO 0.51 -0.69 0.47 1.03 -1.07 0.00 0.00 179.97 180.21 2ely h SER 26 N -1.08 0.53 -0.73 7.04 0.87 -1.97 0.33 113.55 118.54 2ely h SER 26 Ca -0.09 0.12 0.14 0.00 -1.23 0.00 0.00 61.79 60.73 2ely h SER 26 Cb 0.88 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 2ely h SER 26 CO 0.06 0.15 0.49 0.00 -0.53 0.00 0.00 176.83 177.00 2ely h ALA 27 N 1.63 2.12 0.00 6.23 0.00 -1.90 0.29 119.26 127.63 2ely h ALA 27 Ca 0.53 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.20 2ely h ALA 27 Cb 0.87 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2ely h ALA 27 CO -0.43 -0.31 -1.53 1.25 0.00 0.00 0.00 179.25 178.23 2ely h LEU 28 N 0.39 0.00 -0.58 0.00 5.85 -0.12 -3.27 115.31 117.59 2ely h LEU 28 Ca 0.35 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.92 2ely h LEU 28 Cb 0.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2ely h LEU 28 CO -0.11 0.85 -0.65 0.78 -0.34 0.00 0.00 178.44 178.98 2ely h ASN 29 N 0.00 0.30 -0.10 1.25 2.35 0.70 -2.68 115.58 117.40 2ely h ASN 29 Ca -0.22 -0.18 -0.19 0.00 -0.55 0.00 0.00 56.30 55.16 2ely h ASN 29 Cb 1.84 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2ely h ASN 29 CO 0.07 0.87 -0.62 1.62 -1.65 0.00 0.00 177.43 177.72 2ely h VAL 30 N 0.19 1.30 0.00 2.81 3.04 -0.63 -2.96 116.25 120.00 2ely h VAL 30 Ca -0.01 -1.85 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 2ely h VAL 30 Cb 1.17 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 2ely h VAL 30 CO 0.10 0.59 0.00 -0.74 -1.01 0.00 0.00 177.57 176.51 2ely h HIS 31 N 0.53 0.00 -0.42 3.17 -0.00 -1.60 -3.06 115.15 113.77 2ely h HIS 31 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 2ely h HIS 31 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 2ely h HIS 31 CO 0.06 0.00 -0.24 0.45 -0.00 0.00 0.00 177.93 178.21 2ely h HIS 32 N 0.00 0.98 0.00 5.26 -0.00 -1.30 -2.48 115.15 117.61 2ely h HIS 32 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 2ely h HIS 32 Cb 0.57 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2ely h HIS 32 CO 0.00 1.00 0.00 1.63 -0.00 0.00 0.00 177.93 180.56 2ely n LYS 33 N -4.10 0.10 0.00 2.45 4.01 -1.16 -0.42 118.16 119.04 2ely n LYS 33 Ca -0.00 0.58 0.14 0.00 -0.51 0.00 0.00 58.31 58.52 2ely n LYS 33 Cb 0.45 -1.82 0.62 0.00 -0.51 0.00 0.00 35.03 33.77 2ely n LYS 33 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2ely n LEU 34 N -2.04 0.15 -0.05 -0.35 4.77 -0.93 -3.85 117.00 114.70 2ely n LEU 34 Ca -0.01 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 2ely n LEU 34 Cb 0.04 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2ely n LEU 34 CO 0.08 0.03 -0.85 1.41 -1.33 0.00 0.00 177.39 176.73 2ely n HIS 35 N -1.33 0.00 -0.20 -1.77 8.25 0.43 -4.46 115.22 116.15 2ely n HIS 35 Ca 0.10 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.86 2ely n HIS 35 Cb 0.30 -0.43 0.63 0.00 1.12 0.00 0.00 29.99 31.61 2ely n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2ely h THR 36 N 0.00 0.18 -1.86 1.59 1.35 -1.56 -2.82 112.91 109.78 2ely h THR 36 Ca -0.25 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.10 2ely h THR 36 Cb 1.41 0.26 -0.35 0.00 -1.73 0.00 0.00 68.15 67.75 2ely h THR 36 CO -0.03 0.00 -0.98 0.61 -0.25 0.00 0.00 175.52 174.87 2ely n GLY 37 N -1.68 2.21 0.18 5.82 0.00 -1.26 -4.99 105.19 105.47 2ely n GLY 37 Ca 0.21 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 2ely n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ely h GLU 38 N 4.52 -0.37 -6.86 1.61 4.22 -1.72 -3.45 114.58 112.53 2ely h GLU 38 Ca 0.11 0.03 -0.55 0.00 0.08 0.00 0.00 59.36 59.02 2ely h GLU 38 Cb 0.91 0.08 0.12 0.00 0.50 0.00 0.00 28.75 30.36 2ely h GLU 38 CO 0.40 -0.25 0.62 0.36 -2.18 0.00 0.00 179.01 177.96 2ely n LYS 39 N -4.70 2.28 -1.17 1.92 2.85 -1.26 -4.98 118.16 113.09 2ely n LYS 39 Ca -0.05 0.80 -0.29 0.00 -1.05 0.00 0.00 58.31 57.73 2ely n LYS 39 Cb 0.15 -2.50 0.17 0.00 -0.65 0.00 0.00 35.03 32.20 2ely n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2ely s PRO 40 N -2.11 0.57 0.21 -1.58 0.04 -1.26 -5.09 135.00 125.77 2ely s PRO 40 Ca 0.57 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2ely s PRO 40 Cb -0.51 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2ely s PRO 40 CO 0.61 -2.65 0.17 -1.12 0.04 0.00 0.00 177.00 174.05 2ely s SER 41 N -3.44 0.15 0.00 6.66 0.01 -1.26 -5.17 113.70 110.65 2ely s SER 41 Ca 0.65 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2ely s SER 41 Cb -0.18 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2ely s SER 41 CO 0.57 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2ely n GLY 42 N -0.29 -0.83 3.60 3.44 0.00 -1.26 -4.92 105.19 104.94 2ely n GLY 42 Ca 0.02 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 2ely n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ely s PRO 43 N 0.00 3.45 -0.14 1.61 0.04 -1.26 -4.83 135.00 133.88 2ely s PRO 43 Ca 0.00 1.35 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2ely s PRO 43 Cb 0.00 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 2ely s PRO 43 CO 0.00 -1.71 -0.19 0.43 0.04 0.00 0.00 177.00 175.57 2ely n SER 44 N 9.69 1.09 -4.86 6.66 7.64 -1.26 -5.02 113.62 127.56 2ely n SER 44 Ca 0.21 0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.95 2ely n SER 44 Cb 0.47 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 2ely n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ely s SER 45 N -6.30 6.72 0.00 6.43 1.04 -1.26 -5.31 113.70 115.02 2ely s SER 45 Ca -0.20 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2ely s SER 45 Cb 0.07 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2ely s SER 45 CO 0.26 -0.18 0.25 0.61 0.98 0.00 0.00 173.24 175.16